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Select item 102430981.

An acetyl-click screening platform identifies small molecule inhibitors of Histone Acetyltransferase 1 (HAT1)

Jitender D. Gaddameedi, Tristan Chou, Benjamin S. Geller, Amithvikram Rangarajan, Tarun A. Swaminathan, Danielle Dixon, Katherine Long, Caiden J. Golder, Van A. Vuong, Selene Banuelos, Robert Greenhouse, Michael P. Snyder, Andrew M. Lipchik, Joshua J. Gruber

J Med Chem. Author manuscript; available in PMC 2024 Apr 27.

Published in final edited form as: J Med Chem. 2023 Apr 27; 66(8): 5774–5801. Published online 2023 Apr 7. doi: 10.1021/acs.jmedchem.3c00039

PMCID:: PMC10243098

Abstract Article PDF–2.8M

Select item 65854432.

Optimization of Physicochemical Properties for 4-Anilinoquinoline Inhibitors of Plasmodium falciparum Proliferation

Naimee Mehta, Lori Ferrins, Susan E. Leed, Richard J. Sciotti, Michael P. Pollastri

ACS Infect Dis. Author manuscript; available in PMC 2019 Jun 20.

Published in final edited form as: ACS Infect Dis. 2018 Apr 13; 4(4): 577–591. Published online 2018 Jan 17. doi: 10.1021/acsinfecdis.7b00212

PMCID:: PMC6585443

Abstract Article PDF–843K

Select item 73789643.

Design and Synthesis of Poly(ADP-ribose) polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity

Uday Kiran Velagapudi, Marie-France Langelier, Cristina Delgado-Martin, Morgan E. Diolaiti, Sietske Bakker, Alan Ashworth, Bhargav A. Patel, Xuwei Shao, John M. Pascal, Tanaji T. Talele

J Med Chem. Author manuscript; available in PMC 2020 Jul 24.

Published in final edited form as: J Med Chem. 2019 Jun 13; 62(11): 5330–5357. Published online 2019 May 24. doi: 10.1021/acs.jmedchem.8b01709

PMCID:: PMC7378964

Abstract Article PDF–2.7M

Select item 109130384.

Exploiting 3-Oxidopyraziniums toward Diazabicyclo[3.2.1]octanes and Their Conversion into Diazabicyclo[2.2.2]octanes and Tricyclic Lactone-Lactams

Gerard Riesco-Llach, Marta Planas, Lidia Feliu, John A. Joule

J Org Chem. 2024 Mar 1; 89(5): 2904–2915. Published online 2024 Feb 8. doi: 10.1021/acs.joc.3c02273

PMCID:: PMC10913038

Abstract Article PDF–2.1M

Select item 65562315.

Improvement of Aqueous Solubility of Lapatinib-derived Analogs: Identification of a Quinolinimine as a Lead for Human African Trypanosomiasis Drug Development

Kelly A. Bachovchin, Amrita Sharma, Seema Bag, Dana M. Klug, Katherine M. Schneider, Baljinder Singh, Hitesh B. Jalani, Melissa J. Buskes, Naimee Mehta, Scott Tanghe, Jeremiah D. Momper, Richard J. Sciotti, Ana Rodriguez, Kojo Mensa-Wilmot, Michael P. Pollastri, Lori Ferrins

J Med Chem. Author manuscript; available in PMC 2020 Jan 24.

Published in final edited form as: J Med Chem. 2019 Jan 24; 62(2): 665–687. Published online 2019 Jan 10. doi: 10.1021/acs.jmedchem.8b01365

PMCID:: PMC6556231

Abstract Article PDF–999K

Select item 88865746.

Synthesis, physicochemical characterization and neuroprotective evaluation of novel 1-hydroxypyrazin-2(1H)-one iron chelators in an in vitro cell model of Parkinson's disease

Frank W. Lewis, Kathleen Bird, Jean-Philippe Navarro, Rawa El Fallah, Jeremy Brandel, Véronique Hubscher-Bruder, Andrew Tsatsanis, James A. Duce, David Tétard, Samuel Bourne, Mahmoud Maina, Ilse S. Pienaar

Dalton Trans. 2022 Mar 1; 51(9): 3590–3603. Published online 2022 Feb 11. doi: 10.1039/d1dt02604f

PMCID:: PMC8886574

Abstract Article

Select item 105518897.

Structure activity relationship of pyrazinoic acid analogs as potential antimycobacterial agents

Pooja V. Hegde, Wassihun W. Aragaw, Malcolm S. Cole, Gorakhnath Jachak, Priya Ragunathan, Sachin Sharma, Amaravadhi Harikishore, Gerhard Grüber, Thomas Dick, Courtney C. Aldrich

Bioorg Med Chem. Author manuscript; available in PMC 2023 Oct 5.

Published in final edited form as: Bioorg Med Chem. 2022 Nov 15; 74: 117046. Published online 2022 Oct 7. doi: 10.1016/j.bmc.2022.117046

PMCID:: PMC10551889

Abstract Article PDF–1.4M

Select item 79549908.

Tetrahydroindazole inhibitors of CDK2/cyclin complexes

Jae Chul Lee, Kwon Ho Hong, Andreas Becker, Joseph S. Tash, Ernst Schönbrunn, Gunda I. Georg

Eur J Med Chem. Author manuscript; available in PMC 2022 Mar 15.

Published in final edited form as: Eur J Med Chem. 2021 Mar 15; 214: 113232. Published online 2021 Jan 31. doi: 10.1016/j.ejmech.2021.113232

PMCID:: PMC7954990

Abstract Article PDF–2.6M

Select item 78380589.

Discovery of novel diarylamides as orally active diuretics targeting urea transporters

Shun Zhang, Yan Zhao, Shuyuan Wang, Min Li, Yue Xu, Jianhua Ran, Xiaoqiang Geng, Jinzhao He, Jia Meng, Guangying Shao, Hong Zhou, Zemei Ge, Guangping Chen, Runtao Li, Baoxue Yang

Acta Pharm Sin B. 2021 Jan; 11(1): 181–202. Published online 2020 Jun 14. doi: 10.1016/j.apsb.2020.06.001

PMCID:: PMC7838058

Abstract Article PDF–2.7M

Select item 929229410.

Microscale Parallel Synthesis of Acylated Aminotriazoles Enabling the Development of Factor XIIa and Thrombin Inhibitors

Simon Platte, Marvin Korff, Lukas Imberg, Ilker Balicioglu, Catharina Erbacher, Dr. Jonas M. Will, Dr. Constantin G. Daniliuc, Prof. Uwe Karst, Dr. Dmitrii V. Kalinin

ChemMedChem. 2021 Dec 14; 16(24): 3672–3690. Published online 2021 Aug 4. doi: 10.1002/cmdc.202100431

PMCID:: PMC9292294

Abstract Article PDF–15M

Select item 847411911.

Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration

Paolo Di Fruscia, Anna Carbone, Giovanni Bottegoni, Francesco Berti, Francesca Giacomina, Stefano Ponzano, Chiara Pagliuca, Annalisa Fiasella, Daniela Pizzirani, Jose Antonio Ortega, Andrea Nuzzi, Glauco Tarozzo, Luisa Mengatto, Roberta Giampà, Ilaria Penna, Debora Russo, Elisa Romeo, Maria Summa, Rosalia Bertorelli, Andrea Armirotti, Sine Mandrup Bertozzi, Angelo Reggiani, Tiziano Bandiera, Fabio Bertozzi

J Med Chem. 2021 Sep 23; 64(18): 13327–13355. Published online 2021 Sep 1. doi: 10.1021/acs.jmedchem.1c00575

PMCID:: PMC8474119

Abstract Article PDF–3.6M

Select item 969683212.

Pyrazole-Based Thrombin Inhibitors with a Serine-Trapping Mechanism of Action: Synthesis and Biological Activity

Calvin Dunker, Lukas Imberg, Alena I. Siutkina, Catharina Erbacher, Constantin G. Daniliuc, Uwe Karst, Dmitrii V. Kalinin

Pharmaceuticals (Basel) 2022 Nov; 15(11): 1340. Published online 2022 Oct 28. doi: 10.3390/ph15111340

PMCID:: PMC9696832

Abstract Article PDF–14M

Select item 805295013.

Synthesis, Structure-Activity Relationships and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease

Shenyou Nie, Yuan Yao, Fangrui Wu, Xiaowei Wu, Jidong Zhao, Yuanda Hua, Jingyu Wu, Tong Huo, Yi-Lun Lin, Alexander R. Kneubehl, Megan B. Vogt, Josephine Ferreon, Rebecca Rico-Hesse, Yongcheng Song

J Med Chem. Author manuscript; available in PMC 2022 Mar 11.

Published in final edited form as: J Med Chem. 2021 Mar 11; 64(5): 2777–2800. Published online 2021 Feb 17. doi: 10.1021/acs.jmedchem.0c02070

PMCID:: PMC8052950

Abstract Article PDF–1.4M

Select item 948654114.

Design, synthesis and cytotoxic evaluation of novel betulonic acid-diazine derivatives as potential antitumor agents

Yisong Shu, Feifei Li, Yaotian Han, Penglong Wang, Feng Gao, Mengmeng Yan, Miao Liang, Qiang Ma, Yuzhong Zhang, Xia Ding, Haimin Lei

Front Chem. 2022; 10: 969770. Published online 2022 Sep 6. doi: 10.3389/fchem.2022.969770

PMCID:: PMC9486541

Abstract Article PDF–3.3M

Select item 761616315.

Design, synthesis and evaluation of novel 2-phenyl-3-(1H-pyrazol-4-yl) pyridine positive allosteric modulators for the M₄ mAChR

Manuela Jörg, Emma T. van der Westhuizen, Yao Lu, K.H. Christopher Choy, David M. Shackleford, Elham Khajehali, Andrew B. Tobin, David M. Thal, Ben Capuano, Arthur Christopoulos, Celine Valant, Peter J. Scammells

Eur J Med Chem. Author manuscript; available in PMC 2024 Jul 10.

Published in final edited form as: Eur J Med Chem. 2023 Oct 5; 258: 115588. Published online 2023 Jul 1. doi: 10.1016/j.ejmech.2023.115588

PMCID:: PMC7616163

Abstract Article PDF–1.9M

Select item 869594816.

α-Aminoazoles/azines: key reaction partners for multicomponent reactions

Shah Imtiaz, Jahangir Ahmad war, Syqa Banoo, Sarfaraz khan

RSC Adv. 2021 Mar 16; 11(19): 11083–11165. Published online 2021 Mar 16. doi: 10.1039/d1ra00392e

PMCID:: PMC8695948

Abstract Article PDF–16M

Select item 575652017.

A3 Adenosine Receptors as Modulators of Inflammation: From Medicinal Chemistry to Therapy

Kenneth A. Jacobson, Stefania Merighi, Katia Varani, Pier Andrea Borea, Stefania Baraldi, Mojgan Aghazadeh Tabrizi, Romeo Romagnoli, Pier Giovanni Baraldi, Antonella Ciancetta, Dilip K. Tosh, Zhan-Guo Gao, Stefania Gessi

Med Res Rev. Author manuscript; available in PMC 2019 Jul 1.

Published in final edited form as: Med Res Rev. 2018 Jul; 38(4): 1031–1072. Published online 2017 Jul 6. doi: 10.1002/med.21456

PMCID:: PMC5756520

Abstract Article PDF–2.0M

Select item 1050070318.

1,3-Diarylpyrazolyl-acylsulfonamides as potent anti-tuberculosis agents targeting cell wall biosynthesis in Mycobacterium tuberculosis

Lutete Peguy Khonde, Rudolf Müller, Grant A. Boyle, Virsinha Reddy, Aloysius T. Nchinda, Charles J. Eyermann, Stephen Fienberg, Vinayak Singh, Alissa Myrick, Efrem Abay, Mathew Njoroge, Nina Lawrence, Qin Su, Timothy G Myers, Helena I. M. Boshoff, Clifton E. Barry, III, Frederick A Sirgel, Paul D van Helden, Lisa M. Massoudi, Gregory T. Robertson, Anne J. Lenaerts, Gregory S. Basarab, Sandeep R. Ghorpade, Kelly Chibale

J Med Chem. Author manuscript; available in PMC 2023 Sep 14.

Published in final edited form as: J Med Chem. 2021 Sep 9; 64(17): 12790–12807. Published online 2021 Aug 20. doi: 10.1021/acs.jmedchem.1c00837

PMCID:: PMC10500703

Abstract Article PDF–1.4M

Select item 997484319.

Improvement of the Metabolic Stability of GPR88 Agonist RTI-13951–33: Design, Synthesis, and Biological Evaluation

Md Toufiqur Rahman, Ann M. Decker, Sami Ben Hamida, David A. Perrey, Hetti Handi Chaminda Lakmal, Rangan Maitra, Emmanuel Darcq, Brigitte L. Kieffer, Chunyang Jin

J Med Chem. Author manuscript; available in PMC 2023 Aug 23.

Published in final edited form as: J Med Chem. 2023 Feb 23; 66(4): 2964–2978. Published online 2023 Feb 7. doi: 10.1021/acs.jmedchem.2c01983

PMCID:: PMC9974843

Abstract Article PDF–1.2M

Select item 635008320.

Discovery of Cytochrome P450 4F11 Activated Inhibitors of Stearoyl Coenzyme A Desaturase

Sarah E. Winterton, Emanuela Capota, Xiaoyu Wang, Hong Chen, Prema L. Mallipeddi, Noelle S. Williams, Bruce A. Posner, Deepak Nijhawan, Joseph M. Ready

J Med Chem. Author manuscript; available in PMC 2019 Jan 29.

Published in final edited form as: J Med Chem. 2018 Jun 28; 61(12): 5199–5221. Published online 2018 Jun 19. doi: 10.1021/acs.jmedchem.8b00052